D472-0887 Screening compound: 7-(2-chlorophenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0887 Screening compound: 7-(2-chlorophenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0887 Screening compound: 7-(2-chlorophenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0887
7-(2-chlorophenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D472-0887

Molecular Formula

C19H14ClN5O (C19 H14 ClN5 O)

Compound Name

7-(2-chlorophenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

10-(2-chlorophenyl)-4-(furan-2-yl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(-c4ccco4)nc13)c(C)n2-c(cccc1)c1Cl

InChI

InChI=1S/C19H14ClN5O/c1-11-12(2)25(14-7-4-3-6-13(14)20)18-16(11)19-22-17(15-8-5-9-26-15)23-24(19)10-21-18/h3-10H,1-2H3

InChI Key

LSADANZBKAHLKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.05

Polar Surface Area

41.095

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D472-0887 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D472-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0887?
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What is the minimum amount of D472-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0887
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D472-0887 available by request